3-(3-aminopropylamino)propan-1-ol;dihydrochloride

C6H18Cl2N2O — CID 171689446

IUPAC3-(3-aminopropylamino)propan-1-ol;dihydrochloride
SMILESCl.Cl.NCCCNCCCO
InChIInChI=1S/C6H16N2O.2ClH/c7-3-1-4-8-5-2-6-9;;/h8-9H,1-7H2;2*1H
InChIKeyPRZUHBYRPMZULM-UHFFFAOYSA-N
MW205.13 g/mol
LogP0.15
Rot. Bonds6

About 3-(3-aminopropylamino)propan-1-ol;dihydrochloride

3-(3-aminopropylamino)propan-1-ol;dihydrochloride (PubChem CID 171689446) has the molecular formula C6H18Cl2N2O and a molecular weight of 205.13 g/mol. Its IUPAC name is 3-(3-aminopropylamino)propan-1-ol;dihydrochloride.

Molecular Properties

Compound Name3-(3-aminopropylamino)propan-1-ol;dihydrochloride
PubChem CID171689446
Molecular FormulaC6H18Cl2N2O
Molecular Weight205.13 g/mol
Exact Mass204.08
IUPAC Name3-(3-aminopropylamino)propan-1-ol;dihydrochloride
SMILESCl.Cl.NCCCNCCCO
InChIInChI=1S/C6H16N2O.2ClH/c7-3-1-4-8-5-2-6-9;;/h8-9H,1-7H2;2*1H
InChIKeyPRZUHBYRPMZULM-UHFFFAOYSA-N
XLogP0.15
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-aminopropylamino)propan-1-ol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-aminopropylamino)butan-1-ol
CID 10725491
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
pentacosan-1-amine;3-(pentacosylamino)propan-1-ol
CID 155339382
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
N-(3-aminopropyl)-N-[3-(3-aminopropylamino)propyl]hydroxylamine
CID 167246279
N'-[2-[hydroxy(methyl)silyl]ethyl]propane-1,3-diamine
CID 123259159
3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol
CID 177226781

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylamino)propan-1-ol;dihydrochloride?
The IUPAC name of 3-(3-aminopropylamino)propan-1-ol;dihydrochloride (CID 171689446) is 3-(3-aminopropylamino)propan-1-ol;dihydrochloride.
What is the SMILES notation for 3-(3-aminopropylamino)propan-1-ol;dihydrochloride?
The canonical SMILES for 3-(3-aminopropylamino)propan-1-ol;dihydrochloride is Cl.Cl.NCCCNCCCO.
What is the InChIKey of 3-(3-aminopropylamino)propan-1-ol;dihydrochloride?
The InChIKey is PRZUHBYRPMZULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O.2ClH/c7-3-1-4-8-5-2-6-9;;/h8-9H,1-7H2;2*1H.
What are the key properties of 3-(3-aminopropylamino)propan-1-ol;dihydrochloride?
3-(3-aminopropylamino)propan-1-ol;dihydrochloride has a molecular weight of 205.13 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylamino)propan-1-ol;dihydrochloride is sourced from PubChem (CID 171689446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).